N-[4-(2H-tetrazol-5-yl)phenyl]propanamide

C10H11N5O — CID 70840081

IUPACN-[4-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H11N5O/c1-2-9(16)11-8-5-3-7(4-6-8)10-12-14-15-13-10/h3-6H,2H2,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyMLVNVTRWJBPWIO-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.22
Rot. Bonds3

About N-[4-(2H-tetrazol-5-yl)phenyl]propanamide

N-[4-(2H-tetrazol-5-yl)phenyl]propanamide (PubChem CID 70840081) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[4-(2H-tetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2H-tetrazol-5-yl)phenyl]propanamide
PubChem CID70840081
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC NameN-[4-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H11N5O/c1-2-9(16)11-8-5-3-7(4-6-8)10-12-14-15-13-10/h3-6H,2H2,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyMLVNVTRWJBPWIO-UHFFFAOYSA-N
XLogP1.22
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2H-tetrazol-5-yl)phenyl]propanamide?
The IUPAC name of N-[4-(2H-tetrazol-5-yl)phenyl]propanamide (CID 70840081) is N-[4-(2H-tetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2H-tetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(2H-tetrazol-5-yl)phenyl]propanamide is CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-[4-(2H-tetrazol-5-yl)phenyl]propanamide?
The InChIKey is MLVNVTRWJBPWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-2-9(16)11-8-5-3-7(4-6-8)10-12-14-15-13-10/h3-6H,2H2,1H3,(H,11,16)(H,12,13,14,15).
What are the key properties of N-[4-(2H-tetrazol-5-yl)phenyl]propanamide?
N-[4-(2H-tetrazol-5-yl)phenyl]propanamide has a molecular weight of 217.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2H-tetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 70840081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).